N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide

C29H32N2O2 — CID 15546075

IUPACN-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-n2c(CN(C(=O)c3c(C)cc(C)cc3C)C(C)C)cc3ccccc32)cc1
InChIInChI=1S/C29H32N2O2/c1-19(2)30(29(32)28-21(4)15-20(3)16-22(28)5)18-25-17-23-9-7-8-10-27(23)31(25)24-11-13-26(33-6)14-12-24/h7-17,19H,18H2,1-6H3
InChIKeyKQGYQIBXCYUBGH-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.62
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide

N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide (PubChem CID 15546075) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
PubChem CID15546075
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-n2c(CN(C(=O)c3c(C)cc(C)cc3C)C(C)C)cc3ccccc32)cc1
InChIInChI=1S/C29H32N2O2/c1-19(2)30(29(32)28-21(4)15-20(3)16-22(28)5)18-25-17-23-9-7-8-10-27(23)31(25)24-11-13-26(33-6)14-12-24/h7-17,19H,18H2,1-6H3
InChIKeyKQGYQIBXCYUBGH-UHFFFAOYSA-N
XLogP6.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide (CID 15546075) is N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide is COc1ccc(-n2c(CN(C(=O)c3c(C)cc(C)cc3C)C(C)C)cc3ccccc32)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The InChIKey is KQGYQIBXCYUBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-19(2)30(29(32)28-21(4)15-20(3)16-22(28)5)18-25-17-23-9-7-8-10-27(23)31(25)24-11-13-26(33-6)14-12-24/h7-17,19H,18H2,1-6H3.
What are the key properties of N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide has a molecular weight of 440.59 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 15546075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).